File name: Pandora32s1_GreenbeltMD_20240723_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20240724T052047.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20240723_L1_smca1c12d20221109p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20240723 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Based on session 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0059 305.1469 305.2878 305.4288 305.5697 305.7106 305.8515 305.9924 306.1333 306.2742 306.4150 306.5559 306.6967 306.8375 306.9783 307.1191 307.2599 307.4007 307.5415 307.6822 307.8230 307.9637 308.1044 308.2451 308.3858 308.5265 308.6672 308.8079 308.9485 309.0892 309.2298 309.3704 309.5110 309.6516 309.7922 309.9328 310.0733 310.2139 310.3544 310.4950 310.6355 310.7760 310.9165 311.0570 311.1974 311.3379 311.4784 311.6188 311.7592 311.8996 312.0400 312.1804 312.3208 312.4612 312.6015 312.7419 312.8822 313.0226 313.1629 313.3032 313.4435 313.5837 313.7240 313.8643 314.0045 314.1447 314.2849 314.4252 314.5654 314.7055 314.8457 314.9859 315.1260 315.2662 315.4063 315.5464 315.6865 315.8266 315.9667 316.1068 316.2468 316.3869 316.5269 316.6669 316.8070 316.9470 317.0869 317.2269 317.3669 317.5069 317.6468 317.7867 317.9266 318.0666 318.2065 318.3463 318.4862 318.6261 318.7659 318.9058 319.0456 319.1854 319.3252 319.4650 319.6048 319.7446 319.8843 320.0241 320.1638 320.3035 320.4432 320.5829 320.7226 320.8623 321.0020 321.1416 321.2813 321.4209 321.5605 321.7001 321.8397 321.9793 322.1189 322.2584 322.3980 322.5375 322.6770 322.8165 322.9560 323.0955 323.2350 323.3745 323.5139 323.6534 323.7928 323.9322 324.0716 324.2110 324.3504 324.4898 324.6291 324.7685 324.9078 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20240723T104712.5Z 8970.449450 201 1 49.34 2 82.57 70.35 75.48 235.08 0.00 1 0.00 1 0 25 3.393e-01 2.400e-02 1.839e-01 1.056e-02 8.947419e-01 5.909621e-03 1.016434e-02 -6.000000e+00 1.988751e-01 232.39 -2.00 3.47 -2.00 321.99 0.00e+00 5.768641e-03 3.254644e-03 2.844927e-03 -6.000000e+00 9.159095e-03 290.42 -2.00 20.00 -2.00 321.44 0.00e+00 7.148 0.006 302.00 328.00 3 1.6651e+00 2.3110e-02 8.5861e-02 -6.0000e+00 4.9766e-01 1.1346e+00 2.9326e-02 4.8148e-02 -6.0000e+00 5.3739e-01 -1.5449e+00 2.1023e-02 2.4902e-02 -6.0000e+00 3.1971e-01 6.2329e-01 1.0165e-02 8.7126e-03 -6.0000e+00 1.3548e-01 3.1764e-05 -1.6546e-03 2.7272e-04 1.5232e-04 -6.0000e+00 9.1411e-03 9.0641e-03 -8.8927e-05 12 8 8 10 0 0 63.04 21.71 1.35 0.00906 -0.00337 29 7 1 5 0 1701.310 26.00 20.00 21.71 27.46 4.8 1022.03 -69406 -13208 -38834 -57428 -78029 -87120 900000 -49400 -79625 -58592 -127414 -88083 -29862 -49532 84235 -11785 -39113 19899 49757 110538 -16842 -20655 47646 -29394 4202 6497 900000 4476 -34961 -64135 -23805 -22017 63764 1449 1613 16795 -11194 -7746 -32603 67084 27396 79888 48822 52537 67445 66370 38457 57751 21328 25755 10619 63639 46642 46473 39413 23070 13664 17987 34457 19633 41392 15540 30006 37767 7178 24268 7108 12739 20289 12681 9668 5443 15337 10856 -1278 10232 -17345 -3926 -1834 7255 832 653 3178 -259 7720 2003 -1341 897 -17 -158 -1741 7710 -6771 -2418 -8154 -3812 -4688 -998 -3479 -4013 -1301 -4437 -2940 -3669 -3498 -2533 -2131 363 -2267 -2180 636 -946 -1050 -35 1159 -49 225 -948 127 1371 411 956 2337 1534 2747 2191 1754 773 715 1197 720 -333 308 1207 150 473 188 -1528 538 -534 519 -799 -2278 -2922 -358 -1380 -2256 -3139 -3260 900000 -1202 -2682 -1590 -6675 -3214 -726 -1853 1127 -441 -2122 696 1331 1592 -832 -978 1079 -1452 151 227 900000 143 -1547 -3894 -1127 -1246 1772 81 85 691 -611 -454 -2885 2554 1720 3124 2663 2757 2984 2937 2256 2852 1580 1935 1016 3995 3792 4065 3893 2754 1814 2240 3439 2141 3578 1855 3520 4702 1329 3821 1309 2281 3675 2845 2487 1529 3851 2659 -317 1990 -4069 -812 -417 1822 268 246 1311 -108 3456 914 -665 449 -9 -77 -814 3388 -3331 -1182 -4363 -2325 -3434 -827 -3346 -4047 -1222 -3856 -2233 -2697 -2716 -2085 -1848 331 -2363 -2623 857 -1434 -1525 -55 1736 -71 329 -1467 207 2108 632 1520 3485 2238 3847 2992 2330 1073 1137 2042 1403 -717 705 2948 398 1229 501 -4199 1445 -1398 1353 -1937 -5280 SS 20240723T105818.1Z 8970.457154 204 1 48.39 2 80.53 71.99 77.17 237.10 0.00 1 0.00 1 0 17 5.492e-01 1.470e-02 1.069e-01 3.547e-03 7.688238e-01 1.948590e-03 8.831998e-03 -6.000000e+00 3.190343e-01 232.39 -2.00 3.47 -2.00 321.43 0.00e+00 3.876959e-03 1.012939e-03 3.839391e-03 -6.000000e+00 1.427450e-02 290.42 -2.00 20.00 -2.00 320.81 0.00e+00 5.783 0.003 302.00 328.00 3 1.5340e+00 7.0741e-03 7.2413e-02 -6.0000e+00 7.9973e-01 3.4126e-01 9.6986e-03 4.6496e-02 -6.0000e+00 8.6316e-01 -5.1427e-01 8.8382e-03 2.3633e-02 -6.0000e+00 5.1475e-01 2.0792e-01 4.1467e-03 6.7004e-03 -6.0000e+00 2.1913e-01 1.6787e-04 -8.2324e-04 9.3532e-05 1.1210e-04 -6.0000e+00 1.4647e-02 8.3878e-03 -1.0231e-04 12 8 8 10 0 0 18.50 21.73 0.59 0.00839 0.00220 78 18 1 5 0 620.360 26.00 20.00 21.73 28.07 4.8 1025.18 -202403 -183215 -153338 -176922 -166401 -197946 -76046 -167396 -166338 -179622 -196660 -139964 -102641 -75589 -79090 -58484 -51082 -45454 68297 6233 -54798 -44513 -56538 -45883 -37979 1646 -10109 -51282 -39113 -62686 -16853 -25396 -634 -1687 -19076 -14936 -13158 -3370 -12978 17861 10346 15560 5610 14202 22140 7788 15365 22158 4709 10684 6801 20442 18182 17744 18140 7664 11842 8657 14004 8549 4327 10095 6538 8797 6431 6486 2712 3326 4537 7078 5886 3182 4017 3041 1367 -279 -3746 -1544 -5013 -146 -539 -1736 -1160 -2379 1126 -655 -846 343 -433 1320 -509 1657 -2409 -1799 -2317 -2577 -814 -1017 -778 -939 -957 -1824 -2086 -836 -1837 -1616 -1963 -918 -144 -97 437 -117 564 213 74 386 -134 343 232 300 -88 775 1283 1387 780 477 623 1121 332 586 453 282 -187 54 131 -328 107 -197 212 -3 -219 -597 -947 -3374 -3054 -2281 -3005 -2533 -3486 -447 -2722 -2992 -3977 -4886 -2373 -1491 -1098 -1532 -1133 -1060 -991 520 93 -1536 -1109 -1604 -1254 -1038 32 -224 -1668 -1096 -2342 -472 -958 -22 -66 -871 -625 -569 -154 -799 976 698 1082 413 987 1578 593 1223 1709 415 951 699 2077 2099 2249 2453 1205 1847 1397 2074 1293 689 1645 1262 1906 1559 1581 676 846 1250 2202 2081 1223 1530 1108 463 -86 -1096 -443 -1654 -55 -223 -845 -628 -1398 680 -430 -588 244 -312 908 -335 1000 -1453 -1104 -1601 -2095 -706 -1025 -876 -1094 -1063 -1838 -1889 -790 -1722 -1615 -2077 -1030 -176 -125 635 -186 916 342 113 566 -197 523 376 509 -148 1252 1971 2063 1127 668 904 1663 520 1057 856 577 -407 117 305 -814 271 -511 548 -8 -515 -1308 -2116 SS 20240723T111621.0Z 8970.469688 215 1 48.68 2 77.17 74.63 80.02 240.27 0.00 1 0.00 1 0 25 2.922e-01 7.304e-03 3.021e-02 1.144e-03 6.079603e-01 6.055133e-04 6.979325e-03 -6.000000e+00 1.697844e-01 232.39 -2.00 3.47 -2.00 320.39 0.00e+00 2.373451e-03 2.312621e-04 1.345733e-03 -6.000000e+00 7.596188e-03 290.42 -2.00 20.00 -2.00 319.65 0.00e+00 4.382 0.001 302.00 328.00 3 1.1178e+00 1.8772e-03 5.4273e-02 -6.0000e+00 4.2560e-01 3.7801e-02 2.3814e-03 3.2614e-02 -6.0000e+00 4.5933e-01 -7.5915e-02 2.1135e-03 1.6541e-02 -6.0000e+00 2.7393e-01 2.4529e-02 1.0628e-03 4.9892e-03 -6.0000e+00 1.1663e-01 1.1497e-03 -5.8492e-04 3.0964e-05 6.0099e-05 -6.0000e+00 7.7934e-03 8.0126e-03 -7.3419e-05 11 8 0 10 0 0 63.89 21.77 0.40 0.00801 0.00362 253 59 1 5 0 192.390 26.11 20.00 21.77 28.34 4.8 1025.74 -126446 -48350 -108801 -92601 -94069 -121782 -79202 -116097 -58740 -83332 -82889 -55764 -72422 -38164 -46451 -14060 -25526 -23769 -9761 -20744 -6991 -24767 -12445 -13677 -19529 -7524 -14997 -6391 -20212 -11961 -7341 -10670 408 -5303 -2629 -7876 -6502 -3581 -3493 3022 -418 3139 -365 2651 3129 1046 2673 2154 2697 1114 2959 4365 1802 4360 2172 2652 1881 325 1272 -13 2483 1706 3341 3343 1821 1430 20 871 371 1689 960 318 747 -140 310 -1463 -1331 -2194 -2436 -1120 -1326 -907 -1695 -1740 -726 -695 196 118 782 646 470 870 -620 -23 -365 10 -126 472 169 -615 -449 -1093 -622 -294 -1159 -1262 -1014 -485 -6 497 573 469 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